N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide

C16H24N2O2 — CID 142682970

IUPACN-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCCCN(C(=O)c1cc(=O)cc(C)[nH]1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-6-9-18(13-7-8-13)16(20)15-11-14(19)10-12(2)17-15/h10-11,13H,3-9H2,1-2H3,(H,17,19)
InChIKeyVSFDPXVUNARNPR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.87
Rot. Bonds7

About N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide

N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 142682970) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide
PubChem CID142682970
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCCCN(C(=O)c1cc(=O)cc(C)[nH]1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-6-9-18(13-7-8-13)16(20)15-11-14(19)10-12(2)17-15/h10-11,13H,3-9H2,1-2H3,(H,17,19)
InChIKeyVSFDPXVUNARNPR-UHFFFAOYSA-N
XLogP2.87
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 53509847
2-[[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56809319
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclopropylacetamide
CID 71705584
4-hydroxy-6-methyl-N-[1-(1-piperidinylmethyl)cyclopropyl]-2-pyridinecarboxamide
CID 118761350
2-N,6-N-dicyclohexyl-4-oxo-1H-pyridine-2,6-dicarboxamide
CID 57583597
1-cyclopropyl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
CID 59769607
N-cyclohexyl-1-cyclopropyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
CID 59769608
1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
CID 143049825
N-hexyl-6-methyl-4-oxo-1-propylpyridine-2-carboxamide
CID 143049835
N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8768359
[2-[Cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910467
2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 8910468

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide (CID 142682970) is N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide is CCCCCCN(C(=O)c1cc(=O)cc(C)[nH]1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is VSFDPXVUNARNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-6-9-18(13-7-8-13)16(20)15-11-14(19)10-12(2)17-15/h10-11,13H,3-9H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-hexyl-6-methyl-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 142682970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).